* the compiler must be able to generate fortran unformatted IEEE big-endian data files. Note that `g77` compiler does not provide this feature. See `<https://wiki.fysik.dtu.dk/dacapo/Installation#installing-the-pseudopotentials>`_ and set the appropriate compiler flag `FC` and `FFLAGS` in `Source/Makefile` file. E.g. for pgi compiler the settings are::

Directory `Work` contains examples of pseudopotentials.To generate a pseudopotential go into one of directories(e.g. Work/011-Na/011-Na-ca-n-campos) and type::

make

This psedopotential uses `na_ae_0.adat` file as the all-electron run of the reference atomic configuration,and `na_ps.adat` as pseudopotential generation file. Other \*ae\*adat files (together withthe corresponding \*test\*adat files) are usedfor testing of the generated pseudopotential using different electronic configurations.The pseudopotential data is written into `na_ps.uspp` file.Use the ``SetPseudoPotential(<elementnumber>, filename)`` method, as described in`<https://wiki.fysik.dtu.dk/dacapo/Manual#pseudo-potentials>`_,to tell dacapo program to use this pseudopotential file.

See `Makefile` for details andthe `Doc <http://www.physics.rutgers.edu/~dhv/uspp/uspp-736/Doc/>`_ directory for the manual.

1. Have a look at the example (for Na) 011-Na-ca-n-campos_ca_01_incl_tests.tar.gz__. It describes, step-by-step, the modifications made to the default LDA pseudopotential used by dacapo. This pseudopotential which uses 1s, 2s, and 2p electrons as the core. Unpack this file into the Work/011-Na directory and read the *NEW* file::

The 011-Na-pw91-n-campos_pw91_01_incl_tests.tar.gz__ package provides the corresponding PW91 pseudpotential for Na, 011-Na-pw91-sp-campos_pw91_01_incl_tests.tar.gz__ uses only 1s electrons as the core. **Remember to set ifqopt to 3, when using GGA functionals!**

__ attachment:011-Na-pw91-n-campos_pw91_01_incl_tests.tar.gz

__ attachment:011-Na-pw91-sp-campos_pw91_01_incl_tests.tar.gz

2. Examples of pesudopotentials for Br, I, and Ir (ought to improve the default Ir pseudopotential) can be found here `Br_us.pseudo`_, `I_us.pseudo`_, `Ir_us.pseudo`_, with the corresponding sources `035-Br-pw91-nsp-campos.tar.gz`_, `053-I-pw91-nsp-campos.tar.gz`_, `077-Ir-gpw-n-campos.tar.gz`_. Let us know if anyone tests these pseudopotentials and publishes results, so they can be included into the `USPP package`_.

Directory Work contains examples of pseudopotentials.
To generate a pseudopotential go into one of directories
(e.g. Work/011-Na/011-Na-ca-n-campos) and type:

make

This psedopotential uses na_ae_0.adat file as the all-electron run of the reference atomic configuration,
and na_ps.adat as pseudopotential generation file. Other *ae*adat files (together with
the corresponding *test*adat files) are used
for testing of the generated pseudopotential using different electronic configurations.
The pseudopotential data is written into na_ps.uspp file.
Use the SetPseudoPotential(<elementnumber>, filename) method, as described in
https://wiki.fysik.dtu.dk/dacapo/Manual#pseudo-potentials,
to tell dacapo program to use this pseudopotential file.

Have a look at the example (for Na) 011-Na-ca-n-campos_ca_01_incl_tests.tar.gz.
It describes, step-by-step, the modifications made to the default LDA pseudopotential used by dacapo.
This pseudopotential which uses 1s, 2s, and 2p electrons as the core.
Unpack this file into the Work/011-Na directory and read the NEW file: